Materials Data on SbTePt by Materials Project

Dataset · Sat May 02 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1709227· OSTI ID:1709227

PtSbTe is Ilmenite-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Pt5+ is bonded to three equivalent Sb3- and three equivalent Te2- atoms to form PtSb3Te3 octahedra that share corners with twelve equivalent PtSb3Te3 octahedra, corners with three equivalent SbTePt3 trigonal pyramids, and corners with three equivalent TeSbPt3 trigonal pyramids. The corner-sharing octahedra tilt angles range from 62–63°. All Pt–Sb bond lengths are 2.72 Å. All Pt–Te bond lengths are 2.78 Å. Sb3- is bonded to three equivalent Pt5+ and one Te2- atom to form distorted SbTePt3 trigonal pyramids that share corners with three equivalent PtSb3Te3 octahedra, corners with six equivalent SbTePt3 trigonal pyramids, and corners with nine equivalent TeSbPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 80°. The Sb–Te bond length is 2.95 Å. Te2- is bonded to three equivalent Pt5+ and one Sb3- atom to form distorted TeSbPt3 trigonal pyramids that share corners with three equivalent PtSb3Te3 octahedra, corners with six equivalent TeSbPt3 trigonal pyramids, and corners with nine equivalent SbTePt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 81°.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1709227
• Report Number(s): mp-1219487
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Pt-Sb-Te
SbTePt
crystal structure